SCHEMBL3165379

SCHEMBL3165379

CC(C)(C)SS.N[C@@H](CS)C(=O)S

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.43
▸ SLC7A11 Q9UPY5 1/20 0.43
▸ ANPEP P15144 2/20 0.33
▸ ENPEP Q07075 4/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL58409 0.82 — —
SCHEMBL18095586 0.82 — —
SCHEMBL16033448 0.82 — —
SCHEMBL11585608 0.79 — —
SCHEMBL5727888 0.72 PTGS1 (0.44) PTGS1SLC7A11ANPEPENPEPALDH1A1
SCHEMBL9878917 0.70 — —
Cystine SCHEMBL15667872 0.69 PTGS1 (0.58) PTGS1SLC7A11ENPEPALDH1A1
SCHEMBL23777960 0.69 DPP4 (0.40) PTGS1SLC7A11ENPEPALDH1A1MAPT
SCHEMBL16590594 0.69 PTGS1 (0.50) PTGS1SLC7A11ANPEPENPEPALDH1A1
SCHEMBL12229214 0.69 PTGS1 (0.50) PTGS1SLC7A11ANPEPENPEPALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645454-B2 Antibody or antibody fragment which binds specifically to a normal or transformed PSA glycan or glycopeptide SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-01-12 — — US disclosed
US-20060223744-A1 Antibody or antibody fragment which binds specifically to a normal or transformed PSA glycan or glycopeptide SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2006-10-05 — — US disclosed
EP-1570056-A2 PROSTATE SPECIFIC ANTIGENS, CONJUGATES THEREOF, METHODS FOR THEIR PREPARATION AND USES THEREOF. Sloan-Kettering Institute For Cancer Research (US) 2005-09-07 — — EP disclosed
WO-2004060915-A2 PROSTATE SPECIFIC ANTIGENS, CONJUGATES THEREOF, METHODS FOR THEIR PREPARATION AND USES THEREOF. SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2004-07-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060223744-A1 Antibody or antibody fragment which binds specifically to a normal or transformed PSA glycan or glycopeptide KLK3, MAN2B2, PA2G4 PTGS1 4469/4885SLC7A11 3013/4885ANPEP 124/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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